(1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione

C15H13N3O2 — CID 12679364

IUPAC(1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
SMILESCn1c(=O)n2n(c1=O)[C@@H]1C=CC=CC3=C1[C@H]2C=CC=C3
InChIInChI=1S/C15H13N3O2/c1-16-14(19)17-11-8-4-2-6-10-7-3-5-9-12(13(10)11)18(17)15(16)20/h2-9,11-12H,1H3/t11-,12-/m1/s1
InChIKeyMJXCPQWFYXJXSF-VXGBXAGGSA-N
MW267.29 g/mol
LogP0.99
Rot. Bonds

About (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione

(1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione (PubChem CID 12679364) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione.

Molecular Properties

Compound Name(1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
PubChem CID12679364
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione
SMILESCn1c(=O)n2n(c1=O)[C@@H]1C=CC=CC3=C1[C@H]2C=CC=C3
InChIInChI=1S/C15H13N3O2/c1-16-14(19)17-11-8-4-2-6-10-7-3-5-9-12(13(10)11)18(17)15(16)20/h2-9,11-12H,1H3/t11-,12-/m1/s1
InChIKeyMJXCPQWFYXJXSF-VXGBXAGGSA-N
XLogP0.99
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione with MolForge

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Related Compounds

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CID 548811
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CID 334310
7-Methoxy-4-methyl-2,4,6-triazatricyclo[6.5.0.02,6]trideca-8,10,12-triene-3,5-dione
CID 494247
10-Cyclohepta-2,4,6-trien-1-yl-4-methyl-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 12443900
(1R,7S)-10-cyclohepta-2,4,6-trien-1-yl-4-methyl-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 12443901
(8AR,13AS)-11-Methyl-8A,13A-dihydro-10H-heptaleno[1',10':3,4,5]pyrazolo[1,2-A][1,2,4]triazole-10,12(11H)-dione
CID 12679363
(1R,7S)-7-methoxy-4-methyl-2,4,6-triazatricyclo[6.5.0.02,6]trideca-8,10,12-triene-3,5-dione
CID 13417446
4-Propyl-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 15203504
(1R,7S)-4-methyl-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 27744879
(1S,7S)-7-methoxy-4-methyl-2,4,6-triazatricyclo[6.5.0.02,6]trideca-8,10,12-triene-3,5-dione
CID 92146914
(1S,7R)-7-methoxy-4-methyl-2,4,6-triazatricyclo[6.5.0.02,6]trideca-8,10,12-triene-3,5-dione
CID 92529178
(1R,7R)-4-methyl-2,4,6-triazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98073886

Frequently Asked Questions

What is the IUPAC name of (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
The IUPAC name of (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione (CID 12679364) is (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione.
What is the SMILES notation for (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
The canonical SMILES for (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione is Cn1c(=O)n2n(c1=O)[C@@H]1C=CC=CC3=C1[C@H]2C=CC=C3.
What is the InChIKey of (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
The InChIKey is MJXCPQWFYXJXSF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-16-14(19)17-11-8-4-2-6-10-7-3-5-9-12(13(10)11)18(17)15(16)20/h2-9,11-12H,1H3/t11-,12-/m1/s1.
What are the key properties of (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione?
(1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione has a molecular weight of 267.29 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R)-14-methyl-12,14,16-triazatetracyclo[9.5.1.06,17.012,16]heptadeca-2,4,6(17),7,9-pentaene-13,15-dione is sourced from PubChem (CID 12679364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).